SCHEMBL4789197

SCHEMBL4789197

NC(=O)Cn1c(=O)n(-c2ccccc2)c2nc(-c3ccc(Cl)cc3Cl)n(-c3ccc(Cl)cc3)c(=O)c21

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 11/20 0.43
CNR2 P34972 10/20 0.43
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
MAPK1 P28482 1/20 0.41
HTR2B P41595 1/20 0.39
MAPT P10636 1/20 0.39
MAPK8 P45983 1/20 0.39
MAPK9 P45984 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14020262 0.88 MAPT (0.41) CNR1CNR2KDM4EALDH1A1MAPK1
SCHEMBL4786903 0.88 CNR1 (0.43) CNR1CNR2
SCHEMBL4788342 0.86 CRHR1 (0.46) CNR1CNR2KDM4EALDH1A1MAPK1
SCHEMBL4788229 0.84 MAPT (0.39) CNR1CNR2KDM4EALDH1A1MAPK1
SCHEMBL4751343 0.84 TDP2 (0.41) CNR1CNR2KDM4EALDH1A1MAPK1
SCHEMBL4787160 0.81 MAPT (0.45) CNR1CNR2KDM4EALDH1A1MAPK1
SCHEMBL4787973 0.79 CNR1 (0.47) CNR1CNR2KDM4EMAPK1MAPT
SCHEMBL14020279 0.79 MAPT (0.43) CNR1CNR2KDM4EALDH1A1MAPK1
SCHEMBL1753008 0.73 MAPT (0.69) KDM4EALDH1A1LMNAMAPK1MAPT
SCHEMBL1689384 0.72 GRM1 (0.47) CNR1CNR2KDM4EMAPK1MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008134300-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2008-11-06 WO claimed
WO-2008134300-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2008-11-06 WO disclosed
WO-2008134300-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2008-11-06 WO disclosed